5-methoxy-3-N-quinolin-8-ylbenzene-1,3-diamine

C16H15N3O — CID 80723302

IUPAC5-methoxy-3-N-quinolin-8-ylbenzene-1,3-diamine
SMILESCOc1cc(N)cc(Nc2cccc3cccnc23)c1
InChIInChI=1S/C16H15N3O/c1-20-14-9-12(17)8-13(10-14)19-15-6-2-4-11-5-3-7-18-16(11)15/h2-10,19H,17H2,1H3
InChIKeyRKMQYRZOFBMWJE-UHFFFAOYSA-N
MW265.32 g/mol
LogP3.57
Rot. Bonds3

About 5-methoxy-3-N-quinolin-8-ylbenzene-1,3-diamine

5-methoxy-3-N-quinolin-8-ylbenzene-1,3-diamine (PubChem CID 80723302) has the molecular formula C16H15N3O and a molecular weight of 265.32 g/mol. Its IUPAC name is 5-methoxy-3-N-quinolin-8-ylbenzene-1,3-diamine.

Molecular Properties

Compound Name5-methoxy-3-N-quinolin-8-ylbenzene-1,3-diamine
PubChem CID80723302
Molecular FormulaC16H15N3O
Molecular Weight265.32 g/mol
Exact Mass265.12
IUPAC Name5-methoxy-3-N-quinolin-8-ylbenzene-1,3-diamine
SMILESCOc1cc(N)cc(Nc2cccc3cccnc23)c1
InChIInChI=1S/C16H15N3O/c1-20-14-9-12(17)8-13(10-14)19-15-6-2-4-11-5-3-7-18-16(11)15/h2-10,19H,17H2,1H3
InChIKeyRKMQYRZOFBMWJE-UHFFFAOYSA-N
XLogP3.57
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-methoxy-3-N-(2-methoxyphenyl)benzene-1,3-diamine
CID 80722898
3-N-(2-chloro-3-methylphenyl)-5-methoxybenzene-1,3-diamine
CID 114251434
5-methoxy-3-N-(3-methoxyphenyl)benzene-1,3-diamine
CID 80722123
8-N-(3-bromo-5-methoxyphenyl)quinoline-5,8-diamine
CID 82859548
2-(3-amino-5-methoxyanilino)benzonitrile
CID 80721669
2-(4-methoxyphenyl)-N-[4-(quinolin-8-ylamino)phenyl]acetamide
CID 112989310
N-methoxyquinolin-8-amine
CID 143696561
methyl N-[4-(quinolin-8-ylamino)phenyl]carbamate
CID 112989327
3-methyl-2-N-quinolin-8-ylpyridine-2,5-diamine
CID 62476690
4-N-quinolin-8-yl-2-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 23536693
3-N-(2,6-dichlorophenyl)-5-methoxybenzene-1,3-diamine
CID 80735790
4-(4-methoxyanilino)-N-quinolin-8-ylpyridine-2-carboxamide
CID 109221716

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-3-N-quinolin-8-ylbenzene-1,3-diamine?
The IUPAC name of 5-methoxy-3-N-quinolin-8-ylbenzene-1,3-diamine (CID 80723302) is 5-methoxy-3-N-quinolin-8-ylbenzene-1,3-diamine.
What is the SMILES notation for 5-methoxy-3-N-quinolin-8-ylbenzene-1,3-diamine?
The canonical SMILES for 5-methoxy-3-N-quinolin-8-ylbenzene-1,3-diamine is COc1cc(N)cc(Nc2cccc3cccnc23)c1.
What is the InChIKey of 5-methoxy-3-N-quinolin-8-ylbenzene-1,3-diamine?
The InChIKey is RKMQYRZOFBMWJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O/c1-20-14-9-12(17)8-13(10-14)19-15-6-2-4-11-5-3-7-18-16(11)15/h2-10,19H,17H2,1H3.
What are the key properties of 5-methoxy-3-N-quinolin-8-ylbenzene-1,3-diamine?
5-methoxy-3-N-quinolin-8-ylbenzene-1,3-diamine has a molecular weight of 265.32 g/mol, XLogP of 3.57, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-3-N-quinolin-8-ylbenzene-1,3-diamine is sourced from PubChem (CID 80723302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).